3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide

C13H18BrNO — CID 79466412

IUPAC3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(C)c(Br)c1)C(C)C
InChIInChI=1S/C13H18BrNO/c1-5-15(9(2)3)13(16)11-7-6-10(4)12(14)8-11/h6-9H,5H2,1-4H3
InChIKeyFUHMMWRSHYKKGI-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.63
Rot. Bonds3

About 3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide

3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide (PubChem CID 79466412) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide
PubChem CID79466412
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(C)c(Br)c1)C(C)C
InChIInChI=1S/C13H18BrNO/c1-5-15(9(2)3)13(16)11-7-6-10(4)12(14)8-11/h6-9H,5H2,1-4H3
InChIKeyFUHMMWRSHYKKGI-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215
N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81472234
3-bromo-N-(1-chloropropan-2-yl)-N,4-dimethylbenzamide
CID 104555602
3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
CID 104851891
3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 79466930
6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide
CID 66463467
N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide
CID 104627791
3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide
CID 43266072
3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide
CID 79467562
3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide
CID 43265294
4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 112706112
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide (CID 79466412) is 3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide is CCN(C(=O)c1ccc(C)c(Br)c1)C(C)C.
What is the InChIKey of 3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide?
The InChIKey is FUHMMWRSHYKKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-5-15(9(2)3)13(16)11-7-6-10(4)12(14)8-11/h6-9H,5H2,1-4H3.
What are the key properties of 3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide?
3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide has a molecular weight of 284.20 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 79466412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).